- InChI
- InChI=1S/C8H16O2/c1-5-7(4)10-8(9)6(2)3/h6-7H,5H2,1-4H3
- InChI Key
- HLIYSUDZNWPHKZ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(C)OC(=O)C(C)C
- Molecular Weight1
- 144.21
- Other Names
-
- 1-methylpropyl isobutyrate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4628 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -559.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | [827.00; 879.00] |
|
|
| Inp | 879.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 827.00 | NIST | |
| I | 1057.00 | NIST | |
| Tboil | 401.85 | K | Relay (1.0) Calculated Property |
| Tc | 584.32 | K | Relay (1.0) Calculated Property |
| Tfus | 188.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.47; 346.33] | J/mol×K | [439.98; 619.40] |
|
| Cp,gas | 274.47 | J/mol×K | 439.98 | Joback Calculated Property |
| Cp,gas | 287.72 | J/mol×K | 469.88 | Joback Calculated Property |
| Cp,gas | 300.45 | J/mol×K | 499.79 | Joback Calculated Property |
| Cp,gas | 312.67 | J/mol×K | 529.69 | Joback Calculated Property |
| Cp,gas | 324.39 | J/mol×K | 559.59 | Joback Calculated Property |
| Cp,gas | 335.61 | J/mol×K | 589.50 | Joback Calculated Property |
| Cp,gas | 346.33 | J/mol×K | 619.40 | Joback Calculated Property |
| η | [0.0002199; 0.0193686] | Pa×s | [192.25; 439.98] |
|
| η | 0.0193686 | Pa×s | 192.25 | Joback Calculated Property |
| η | 0.0047469 | Pa×s | 233.54 | Joback Calculated Property |
| η | 0.0017751 | Pa×s | 274.83 | Joback Calculated Property |
| η | 0.0008583 | Pa×s | 316.12 | Joback Calculated Property |
| η | 0.0004908 | Pa×s | 357.40 | Joback Calculated Property |
| η | 0.0003152 | Pa×s | 398.69 | Joback Calculated Property |
| η | 0.0002199 | Pa×s | 439.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, 1-methylpropyl ester.
Sources
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